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PS210 - 98%, high purity , CAS No.1221962-86-2

COA

Grade & Purity:

≥98%

Cas Number: 1221962-86-2
Molecular Weight: 247.25
PubChem CID: 66760004
PubChem SID: 504771854

In stock

Item Number

P412959

Grouped product items
SKU	Size	Availability	Price
P412959-5mg	5mg	3	$86.90
P412959-10mg	10mg	2	$140.90
P412959-25mg	25mg	2	$271.90
P412959-50mg	50mg	2	$489.90
P412959-100mg	100mg	2	$815.90

View related series

PDK-1 (15) PI3K/Akt/mTOR (765)

Basic Description

Synonyms	2-[3-Oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]-propanedioic acid
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	PS210 is a substrate-selective protein kinase PDK1 inhibitor that acts by binding to the PIF-pocket allosteric docking site.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Information PS210 is a substrate-selective protein kinase PDK1 inhibitor that acts by binding to the PIF-pocket allosteric docking site.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lignans, neolignans and related compounds

Kingdom	Organic compounds
Superclass	Lignans, neolignans and related compounds
Class	Not available
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Lignans, neolignans and related compounds
Alternative Parents	Retro-dihydrochalcones Alkyl-phenylketones Phenylpropanoic acids Butyrophenones Trifluoromethylbenzenes Aryl alkyl ketones Medium-chain fatty acids Benzoyl derivatives Halogenated fatty acids Branched fatty acids 1,3-dicarbonyl compounds Dicarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Norlignan skeleton - Retro-dihydrochalcone - Linear 1,3-diarylpropanoid - Alkyl-phenylketone - Butyrophenone - 3-phenylpropanoic-acid - Trifluoromethylbenzene - Phenylketone - Benzoyl - Medium-chain fatty acid - Aryl alkyl ketone - Aryl ketone - Halogenated fatty acid - Branched fatty acid - Fatty acid - Fatty acyl - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - 1,3-dicarbonyl compound - Benzenoid - Ketone - Carboxylic acid derivative - Carboxylic acid - Alkyl halide - Alkyl fluoride - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as lignans, neolignans and related compounds. These are plant products of low molecular weight formed primarily from oxidative coupling of two p-propylphenol moieties. They can also be described as micromolecules with two phenylpropanoid units coupled together. They can be attached in various manners, like C5-C5', C8-C8'. Most known natural lignans are oxidized at C9 and C9´ and, based upon the way in which oxygen is incorporated into the skeleton and on the cyclization patterns, a wide range of lignans of very different structural types can be formed.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

PRKCZ Tchem Protein kinase C zeta (2414 Activities)

Discover Target: PRKCZ

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PDPK1 Tchem 3-phosphoinositide dependent protein kinase-1 (3758 Activities)

Discover Target: PDPK1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PKN2 Tchem Protein kinase N2 (1991 Activities)

Discover Target: PKN2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AKT1 Tchem Serine/threonine-protein kinase AKT (9192 Activities)

Discover Target: AKT1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SGK1 Tchem Serine/threonine-protein kinase Sgk1 (2343 Activities)

Discover Target: SGK1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RPS6KB1 Tchem Ribosomal protein S6 kinase 1 (4456 Activities)

Discover Target: RPS6KB1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504771854
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504771854
IUPAC Name	2-[3-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]propanedioic acid
INCHI	InChI=1S/C19H15F3O5/c20-19(21,22)13-8-6-12(7-9-13)15(23)10-14(11-4-2-1-3-5-11)16(17(24)25)18(26)27/h1-9,14,16H,10H2,(H,24,25)(H,26,27)
InChIKey	MLJPLHGJBUWCBA-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)C(F)(F)F)C(C(=O)O)C(=O)O
Isomeric SMILES	C1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)C(F)(F)F)C(C(=O)O)C(=O)O
PubChem CID	66760004
Molecular Weight	247.25

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
K2223353	Certificate of Analysis	Jul 03, 2022	P412959
K2223388	Certificate of Analysis	Jul 03, 2022	P412959
K2223386	Certificate of Analysis	Jul 03, 2022	P412959
K2223339	Certificate of Analysis	Jul 03, 2022	P412959
K2223383	Certificate of Analysis	Jul 03, 2022	P412959

Chemical and Physical Properties

Molecular Weight	380.300 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	380.087 Da
Monoisotopic Mass	380.087 Da
Topological Polar Surface Area	91.700 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	532.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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